2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile

C14H27N3O — CID 55227107

IUPAC2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile
SMILESCCOCCN(CC)CCC(C)(C#N)NC1CC1
InChIInChI=1S/C14H27N3O/c1-4-17(10-11-18-5-2)9-8-14(3,12-15)16-13-6-7-13/h13,16H,4-11H2,1-3H3
InChIKeyBDJJUZABCWXWPI-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds10

About 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile

2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile (PubChem CID 55227107) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile
PubChem CID55227107
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile
SMILESCCOCCN(CC)CCC(C)(C#N)NC1CC1
InChIInChI=1S/C14H27N3O/c1-4-17(10-11-18-5-2)9-8-14(3,12-15)16-13-6-7-13/h13,16H,4-11H2,1-3H3
InChIKeyBDJJUZABCWXWPI-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile (CID 55227107) is 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile is CCOCCN(CC)CCC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile?
The InChIKey is BDJJUZABCWXWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-17(10-11-18-5-2)9-8-14(3,12-15)16-13-6-7-13/h13,16H,4-11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile?
2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile has a molecular weight of 253.39 g/mol, XLogP of 1.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[2-ethoxyethyl(ethyl)amino]-2-methylbutanenitrile is sourced from PubChem (CID 55227107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).